[Sar9] Substance P acetate(77128-75-7 free base)

Iupac Name

acetic acid--(S)-2-((((S)-1-((S)-2-((((S)-1-(L-arginyl)pyrrolidin-2-yl)(hydroxy)methylene)amino)-6-aminohexanoyl)pyrrolidin-2-yl)(hydroxy)methylene)amino)-N1-((5S,8S,14S,17S,20S)-14,17-dibenzyl-7,10,16,19,23-pentahydroxy-5-(hydroxy(imino)methyl)-23-imino-8-isobutyl-12-methyl-13-oxo-2-thia-6,9,12,15,18-pentaazatricosa-6,9,15,18-tetraen-20-yl)pentanebis(imidic) acid (1/1)

Inchi Code

1S/C64H100N18O13S.C2H4O2/c1-38(2)34-46(57(89)74-42(54(69)86)28-33-96-4)73-53(85)37-80(3)62(94)48(36-40-18-9-6-10-19-40)79-58(90)47(35-39-16-7-5-8-17-39)78-56(88)43(24-26-51(67)83)75-55(87)44(25-27-52(68)84)76-59(91)50-23-15-32-82(50)63(95)45(21-11-12-29-65)77-60(92)49-22-14-31-81(49)61(93)41(66)20-13-30-72-64(70)71;1-2(3)4/h5-10,16-19,38,41-50H,11-15,20-37,65-66H2,1-4H3,(H2,67,83)(H2,68,84)(H2,69,86)(H,73,85)(H,74,89)(H,75,87)(H,76,91)(H,77,92)(H,78,88)(H,79,90)(H4,70,71,72);1H3,(H,3,4)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-;/m0./s1

InChI key

LEPDRMGLNBWHJE-LYQMAKBCSA-N